6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide

C20H23F2N3O2Si — CID 69023043

IUPAC6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
SMILESC[Si](C)(C)CCOCn1nc(C(N)=O)c2cc(-c3ccccc3)c(F)c(F)c21
InChIInChI=1S/C20H23F2N3O2Si/c1-28(2,3)10-9-27-12-25-19-15(18(24-25)20(23)26)11-14(16(21)17(19)22)13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3,(H2,23,26)
InChIKeyARJWPPDKWIOWKY-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.39
Rot. Bonds7

About 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide

6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide (PubChem CID 69023043) has the molecular formula C20H23F2N3O2Si and a molecular weight of 403.51 g/mol. Its IUPAC name is 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide.

Molecular Properties

Compound Name6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
PubChem CID69023043
Molecular FormulaC20H23F2N3O2Si
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
SMILESC[Si](C)(C)CCOCn1nc(C(N)=O)c2cc(-c3ccccc3)c(F)c(F)c21
InChIInChI=1S/C20H23F2N3O2Si/c1-28(2,3)10-9-27-12-25-19-15(18(24-25)20(23)26)11-14(16(21)17(19)22)13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3,(H2,23,26)
InChIKeyARJWPPDKWIOWKY-UHFFFAOYSA-N
XLogP4.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
methyl 6-(2,6-difluoro-3-nitrophenyl)-7-fluoro-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate
CID 155711389
5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 57495793
methyl 7-fluoro-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate
CID 155711472
[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-phenylmethanone
CID 157048343
1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone
CID 156716995
3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid
CID 166022038
methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate
CID 162527237
4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
CID 170781316
4-oxo-3-(2-trimethylsilylethoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 10710093
trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
CID 168730347
2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
CID 171118395

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
The IUPAC name of 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide (CID 69023043) is 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide.
What is the SMILES notation for 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
The canonical SMILES for 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide is C[Si](C)(C)CCOCn1nc(C(N)=O)c2cc(-c3ccccc3)c(F)c(F)c21.
What is the InChIKey of 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
The InChIKey is ARJWPPDKWIOWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2Si/c1-28(2,3)10-9-27-12-25-19-15(18(24-25)20(23)26)11-14(16(21)17(19)22)13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3,(H2,23,26).
What are the key properties of 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide is sourced from PubChem (CID 69023043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).